methyl 4-[(2,4-difluorophenyl)methyl]benzoate

C15H12F2O2 — CID 101156425

IUPACmethyl 4-[(2,4-difluorophenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O2/c1-19-15(18)11-4-2-10(3-5-11)8-12-6-7-13(16)9-14(12)17/h2-7,9H,8H2,1H3
InChIKeyCYBZCHZIOCLDKJ-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.34
Rot. Bonds3

About methyl 4-[(2,4-difluorophenyl)methyl]benzoate

methyl 4-[(2,4-difluorophenyl)methyl]benzoate (PubChem CID 101156425) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is methyl 4-[(2,4-difluorophenyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,4-difluorophenyl)methyl]benzoate
PubChem CID101156425
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Namemethyl 4-[(2,4-difluorophenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O2/c1-19-15(18)11-4-2-10(3-5-11)8-12-6-7-13(16)9-14(12)17/h2-7,9H,8H2,1H3
InChIKeyCYBZCHZIOCLDKJ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 4-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxylate
CID 18476032
methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
CID 67973755
methyl 4-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82561071
4-[(4-fluorophenyl)methyl]-3-methoxycarbonylbenzoic acid
CID 18476060
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
4-[(4-methoxycarbonylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 174445004
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
CID 170307924
CID 170307924
methyl 4-[(5-chloro-2-methylphenyl)methyl]benzoate
CID 142860305
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
ethane;methyl 4-[(5-chloro-2-methylphenyl)methyl]benzoate
CID 142860304
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-difluorophenyl)methyl]benzoate?
The IUPAC name of methyl 4-[(2,4-difluorophenyl)methyl]benzoate (CID 101156425) is methyl 4-[(2,4-difluorophenyl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2,4-difluorophenyl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2,4-difluorophenyl)methyl]benzoate is COC(=O)c1ccc(Cc2ccc(F)cc2F)cc1.
What is the InChIKey of methyl 4-[(2,4-difluorophenyl)methyl]benzoate?
The InChIKey is CYBZCHZIOCLDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-19-15(18)11-4-2-10(3-5-11)8-12-6-7-13(16)9-14(12)17/h2-7,9H,8H2,1H3.
What are the key properties of methyl 4-[(2,4-difluorophenyl)methyl]benzoate?
methyl 4-[(2,4-difluorophenyl)methyl]benzoate has a molecular weight of 262.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-difluorophenyl)methyl]benzoate is sourced from PubChem (CID 101156425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).